2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane

C11H14O3 — CID 89175993

IUPAC2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane
SMILESCc1ccccc1OCC1OC(C)O1
InChIInChI=1S/C11H14O3/c1-8-5-3-4-6-10(8)12-7-11-13-9(2)14-11/h3-6,9,11H,7H2,1-2H3
InChIKeyOHVOMHMHVSBPDB-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.09
Rot. Bonds3

About 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane

2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane (PubChem CID 89175993) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane.

Molecular Properties

Compound Name2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane
PubChem CID89175993
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane
SMILESCc1ccccc1OCC1OC(C)O1
InChIInChI=1S/C11H14O3/c1-8-5-3-4-6-10(8)12-7-11-13-9(2)14-11/h3-6,9,11H,7H2,1-2H3
InChIKeyOHVOMHMHVSBPDB-UHFFFAOYSA-N
XLogP2.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
3-[(2-methylphenoxy)methyl]oxetane
CID 116820110
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
2-[(2-methylphenoxy)methyl]cyclopropan-1-amine
CID 112547316
3-[(2-methylphenoxy)methyl]-7-oxabicyclo[4.1.0]heptane
CID 23111982
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
ethane;2-[(2-methylphenoxy)methyl]thiirane
CID 144517451
(4S)-2,2-dimethyl-4-[(2-methylphenoxy)methyl]-1,3-dioxolane
CID 71365815
2-[2-(2-methylphenoxy)ethoxymethyl]oxirane
CID 13013247
1-[3-methyl-4-[(4-methyl-1,3-dioxetan-2-yl)methoxy]phenyl]sulfanyl-3-(4-methylphenoxy)propan-2-ol
CID 70836912
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane?
The IUPAC name of 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane (CID 89175993) is 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane.
What is the SMILES notation for 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane?
The canonical SMILES for 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane is Cc1ccccc1OCC1OC(C)O1.
What is the InChIKey of 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane?
The InChIKey is OHVOMHMHVSBPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-5-3-4-6-10(8)12-7-11-13-9(2)14-11/h3-6,9,11H,7H2,1-2H3.
What are the key properties of 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane?
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane has a molecular weight of 194.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane is sourced from PubChem (CID 89175993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).